acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

C8H18N2O5 — CID 159639150

IUPACacetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESCC(=O)NC(CO)(CO)CO.CC(N)=O
InChIInChI=1S/C6H13NO4.C2H5NO/c1-5(11)7-6(2-8,3-9)4-10;1-2(3)4/h8-10H,2-4H2,1H3,(H,7,11);1H3,(H2,3,4)
InChIKeyMQCXJHCJXJRZTP-UHFFFAOYSA-N
MW222.24 g/mol
LogP-2.67
Rot. Bonds4

About acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide

acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (PubChem CID 159639150) has the molecular formula C8H18N2O5 and a molecular weight of 222.24 g/mol. Its IUPAC name is acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.

Molecular Properties

Compound Nameacetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
PubChem CID159639150
Molecular FormulaC8H18N2O5
Molecular Weight222.24 g/mol
Exact Mass222.12
IUPAC Nameacetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
SMILESCC(=O)NC(CO)(CO)CO.CC(N)=O
InChIInChI=1S/C6H13NO4.C2H5NO/c1-5(11)7-6(2-8,3-9)4-10;1-2(3)4/h8-10H,2-4H2,1H3,(H,7,11);1H3,(H2,3,4)
InChIKeyMQCXJHCJXJRZTP-UHFFFAOYSA-N
XLogP-2.67
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-2.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N,N'-bis[tris(hydroxymethyl)methyl]ethanediamide
CID 493586
N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 519166
1,4-Bis(1,3-dihydroxy-2-methyl-2-propyl)oxamide
CID 5220590
2-hydroxy-N-[2-hydroxy-1-(hydroxymethyl)-1-methyl-ethyl]acetamide
CID 6480493
N-(1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl)acetamide
CID 285324
N~1~,N~2~-Bis(1-hydroxy-2-methylpropan-2-yl)ethanediamide
CID 12344277
n,n'-Bis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]malonamide
CID 21205308
N,N'-bis(1-hydroxy-2-methylpropan-2-yl)propanediamide
CID 4000556
2-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpropanamide
CID 130562000
[2-(2,2-Dimethylpropanoylamino)-2-(fluorooxymethyl)-3-hydroxypropyl] hypofluorite
CID 144703638
N-2-(1,3-Dihydroxy-2-methylpropyl) acetamide
CID 522221
N-(2-Hydroxy-1-(hydroxymethyl)-1-methylethyl)-2,2-dimethylpropanamide
CID 4225853

Frequently Asked Questions

What is the IUPAC name of acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The IUPAC name of acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide (CID 159639150) is acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide.
What is the SMILES notation for acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The canonical SMILES for acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is CC(=O)NC(CO)(CO)CO.CC(N)=O.
What is the InChIKey of acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
The InChIKey is MQCXJHCJXJRZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4.C2H5NO/c1-5(11)7-6(2-8,3-9)4-10;1-2(3)4/h8-10H,2-4H2,1H3,(H,7,11);1H3,(H2,3,4).
What are the key properties of acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide?
acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide has a molecular weight of 222.24 g/mol, XLogP of -2.67, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide is sourced from PubChem (CID 159639150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).